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BDBM50397626 CHEMBL2181730

SMILES: COc1ccccc1NS(=O)(=O)c1cc(ccc1C)-c1c(C)noc1C

InChI Key: InChIKey=ZZWKKPJOUHFHRP-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50397626   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50397626
PNG
(CHEMBL2181730)
Show SMILES COc1ccccc1NS(=O)(=O)c1cc(ccc1C)-c1c(C)noc1C
Show InChI InChI=1S/C19H20N2O4S/c1-12-9-10-15(19-13(2)20-25-14(19)3)11-18(12)26(22,23)21-16-7-5-6-8-17(16)24-4/h5-11,21H,1-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.80E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged BRD4-BD12 expressed in Escherichia coli assessed as inhibition of binding to SGRG-K(Ac)-GG-K(Ac)-GLG-K(Ac)-GGA-K(Ac)-RHGSGS...


J Med Chem 55: 587-96 (2012)


Article DOI: 10.1021/jm201283q
BindingDB Entry DOI: 10.7270/Q22R3SSS
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50397626
PNG
(CHEMBL2181730)
Show SMILES COc1ccccc1NS(=O)(=O)c1cc(ccc1C)-c1c(C)noc1C
Show InChI InChI=1S/C19H20N2O4S/c1-12-9-10-15(19-13(2)20-25-14(19)3)11-18(12)26(22,23)21-16-7-5-6-8-17(16)24-4/h5-11,21H,1-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged BRD2 expressed in Escherichia coli assessed as inhibition of binding to SGRG-K(Ac)-GG-K(Ac)-GLG-K(Ac)-GGA-K(Ac)-RHGSGSK-bio...


J Med Chem 55: 587-96 (2012)


Article DOI: 10.1021/jm201283q
BindingDB Entry DOI: 10.7270/Q22R3SSS
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50397626
PNG
(CHEMBL2181730)
Show SMILES COc1ccccc1NS(=O)(=O)c1cc(ccc1C)-c1c(C)noc1C
Show InChI InChI=1S/C19H20N2O4S/c1-12-9-10-15(19-13(2)20-25-14(19)3)11-18(12)26(22,23)21-16-7-5-6-8-17(16)24-4/h5-11,21H,1-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.10E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged BRD3 expressed in Escherichia coli assessed as inhibition of binding to SGRG-K(Ac)-GG-K(Ac)-GLG-K(Ac)-GGA-K(Ac)-RHGSGSK-bio...


J Med Chem 55: 587-96 (2012)


Article DOI: 10.1021/jm201283q
BindingDB Entry DOI: 10.7270/Q22R3SSS
More data for this
Ligand-Target Pair